SCHEMBL1978371

SCHEMBL1978371

C=CCc1cc([N+](=O)[O-])cc(F)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GPR35 Q9HC97 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 3/20 0.40
POLB P06746 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30853117 0.83 GPR35 (0.54) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL5141227 0.83 GPR35 (0.54) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL16711728 0.81 GPR35 (0.54) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL8178061 0.81 ALDH1A1 (0.41) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL11757407 0.79 AKR1B1 (0.44) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL1977473 0.78 GPR35 (0.43) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL17182634 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL3549785 0.77 KDM4E (0.39) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL1137222 0.77 ALDH1A1 (0.57) MEN1KMT2AGPR35ALDH1A1MAPT
SCHEMBL11442960 0.76 POLB (0.44) MEN1KMT2AALDH1A1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104326916-A Combined preparation and application of 2-fluoro-4-allyl-6-nitrophenol and 2-fluoro-4-nitro-6-allyl phenol UNIV QINGDAO AGRICULTURAL 2015-02-04 CN disclosed
CN-104326916-A Combined preparation and application of 2-fluoro-4-allyl-6-nitrophenol and 2-fluoro-4-nitro-6-allyl phenol UNIV QINGDAO AGRICULTURAL 2015-02-04 CN disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
EP-2350088-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS Ferrer Internacional, S.A. (ES) 2011-08-03 EP disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 WO disclosed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS MTNR1A, MTNR1B, ADORA2A MEN1 1086/4885KMT2A 895/4885GPR35 159/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.